N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide

C25H26FN3O4 — CID 46028113

IUPACN-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C2CC2)c1
InChIInChI=1S/C25H26FN3O4/c1-31-19-6-4-5-17(15-19)24(30)29(18-9-10-18)16-21-23(20-7-2-3-8-22(20)26)27-33-25(21)28-11-13-32-14-12-28/h2-8,15,18H,9-14,16H2,1H3
InChIKeyOVNZICCGVKKAMF-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.13
Rot. Bonds7

About N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide

N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide (PubChem CID 46028113) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
PubChem CID46028113
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC NameN-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C2CC2)c1
InChIInChI=1S/C25H26FN3O4/c1-31-19-6-4-5-17(15-19)24(30)29(18-9-10-18)16-21-23(20-7-2-3-8-22(20)26)27-33-25(21)28-11-13-32-14-12-28/h2-8,15,18H,9-14,16H2,1H3
InChIKeyOVNZICCGVKKAMF-UHFFFAOYSA-N
XLogP4.13
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide (CID 46028113) is N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
The InChIKey is OVNZICCGVKKAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-31-19-6-4-5-17(15-19)24(30)29(18-9-10-18)16-21-23(20-7-2-3-8-22(20)26)27-33-25(21)28-11-13-32-14-12-28/h2-8,15,18H,9-14,16H2,1H3.
What are the key properties of N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide has a molecular weight of 451.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 46028113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).